3，4-Dibenzyloxybenzaldehyde - ≥98% , CAS No.5447-02-9

CAS: 5447-02-9 Cat. No.: D136378 Formule: C₂₁H₁₈O₃ Poids moléculaire: 318.37 Numéro CE: 226-662-2

GRADE & PURITY ≥98%

Synonyms

3,4-DI(BENZYLOXY)BENZALDEHYDE | NSC177378 | Benzaldehyde, 3,4-dibenzyloxy- | NSC16747 | D4079 | SY051629 | .ALPHA.,.ALPHA.'-DIPHENYLVERATRALDEHYDE | Benzaldehyde, 3,4-bis(phenylmethoxy)- | XDDLXZHBWVFPRG-UHFFFAOYSA- | 2-(4-chlorophenoxymethyl)oxirane | 3,

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

3,4-DI(BENZYLOXY)BENZALDEHYDE | NSC177378 | Benzaldehyde, 3,4-dibenzyloxy- | NSC16747 | D4079 | SY051629 | .ALPHA.,.ALPHA.'-DIPHENYLVERATRALDEHYDE | Benzaldehyde, 3,4-bis(phenylmethoxy)- | XDDLXZHBWVFPRG-UHFFFAOYSA- | 2-(4-chlorophenoxymethyl)oxirane | 3,

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488185745

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185745

Sourires canoniques

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=O)OCC3=CC=CC=C3

IUPAC Name

3,4-bis(phenylmethoxy)benzaldehyde

InChIKey

XDDLXZHBWVFPRG-UHFFFAOYSA-N

INCHI

1S/C21H18O3/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)21(13-19)24-16-18-9-5-2-6-10-18/h1-14H,15-16H2

Isomères SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=O)OCC3=CC=CC=C3

Poids moléculaire

318.37

Reaxy-Rn

1132811

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1132811&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Benzoyl derivatives Benzaldehydes Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Benzoyl - Benzaldehyde - Aryl-aldehyde - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Sensibilité: Air sensitive
• Point de fusion (°C): 90-94 °C
• Poids moléculaire: 318.400 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 318.126 Da
• Monoisotopic Mass: 318.126 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 358.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5447-02-9, the molecular formula is C21H18O3, and the molecular weight is 318.37 g/mol. InChIKey XDDLXZHBWVFPRG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.